SCHEMBL14469684

SCHEMBL14469684

CC1(C)C=C(C(=O)OCc2ccccc2)c2cc(-c3ccccc3)ccc2OC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 4/20 0.38
MGLL Q99685 3/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP12 P39900 2/20 0.38
FAAH O00519 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
HTR1A P08908 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14469705 0.87 TDP1 (0.42) PRKCZNPC1RAB9AALDH1A1SLC6A2
SCHEMBL14469714 0.85 TSHR (0.45) PRKCZALDH1A1MGLLMMP1MMP12
SCHEMBL14469745 0.82 ALDH1A1 (0.43) NPC1RAB9AALDH1A1SLC6A2SLC6A3
SCHEMBL2314407 0.70 HTR2B (0.38) TDP1SMN1; SMN2KDM4EMAPTHTR1A
SCHEMBL3599366 0.67 RXRA (0.41) ALDH1A1KMT2ATDP1KDM4EMAPT
SCHEMBL24117922 0.66 TDP1 (0.54) RAB9AALDH1A1MMP1MMP2MMP12
SCHEMBL9537746 0.65 KMT2A (0.79) NPC1RAB9AALDH1A1SLC6A2SLC6A3
Biphenyl SCHEMBL11403488 0.64 ALDH1A1 (0.88) NPC1RAB9AALDH1A1MGLLSLC6A2
SCHEMBL32664886 0.64 RAB9A (0.75) NPC1RAB9AALDH1A1MGLLMMP1
SCHEMBL27957337 0.64 RAB9A (0.75) NPC1RAB9AALDH1A1MGLLMMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686983-B1 USE OF PENTADIENOIC ACID DERIVATES FOR TREATEMENT OF HYPERURICEMIA MERCK PATENT GMBH (DE) 2007-07-11 EP disclosed